SCHEMBL18546458

SCHEMBL18546458

CS(=O)(=O)OC[C@@H]1C[C@@H](F)CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.34
PEPD P12955 1/20 0.33
XPNPEP1 Q9NQW7 1/20 0.33
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
CASP3 P42574 2/20 0.31
CASP7 P55210 2/20 0.31
FAP Q12884 1/20 0.31
ITGA4 P13612 3/20 0.31
ITGB1 P05556 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2543637 1.00 DPP4 (0.34) DPP4PEPDXPNPEP1DPP8DPP9
SCHEMBL16468582 1.00 DPP4 (0.34) DPP4PEPDXPNPEP1DPP8DPP9
SCHEMBL15271241 0.81 HSD11B1 (0.38) DPP4FAP
SCHEMBL15271245 0.81 HSD11B1 (0.38) DPP4FAP
SCHEMBL12232989 0.81 HSD11B1 (0.38) DPP4FAP
SCHEMBL12479117 0.81 HSD11B1 (0.38) DPP4FAP
SCHEMBL16491273 0.81 HSD11B1 (0.38) DPP4FAP
SCHEMBL19181868 0.81 FFAR1 (0.34)
SCHEMBL18426092 0.80 MMP2 (0.33)
SCHEMBL5078017 0.80 FFAR1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 EP disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-10385097-B2 Ether compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-20 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-10138225-B2 Amide compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-11-27 US disclosed
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-25 US disclosed
EP-3340981-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-10000516-B2 Phosphonate compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
WO-2017035353-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2017035355-A1 ETHER COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
WO-2017035357-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 DPP4 2144/4885PEPD 80/4885XPNPEP1 345/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 DPP4 2144/4885PEPD 80/4885XPNPEP1 345/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 DPP4 2150/4885PEPD 79/4885XPNPEP1 344/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 DPP4 2144/4885PEPD 80/4885XPNPEP1 345/4885
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders CFD, TFPI, F12 DPP4 3160/4885PEPD 726/4885XPNPEP1 664/4885
US-10385097-B2 Ether compounds for treatment of medical disorders CFD, TFPI, F12 DPP4 3160/4885PEPD 726/4885XPNPEP1 664/4885
US-10138225-B2 Amide compounds for treatment of medical disorders CFD, TFPI, CFH DPP4 2634/4885PEPD 107/4885XPNPEP1 697/4885
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH DPP4 2808/4885PEPD 136/4885XPNPEP1 321/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 DPP4 2144/4885PEPD 80/4885XPNPEP1 345/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 DPP4 2144/4885PEPD 80/4885XPNPEP1 345/4885
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders CFD, TFPI, CFH DPP4 2634/4885PEPD 107/4885XPNPEP1 697/4885
US-10000516-B2 Phosphonate compounds for treatment of medical disorders CFD, TFPI, CFH DPP4 2808/4885PEPD 136/4885XPNPEP1 321/4885
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 DPP4 2144/4885PEPD 80/4885XPNPEP1 345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.