SCHEMBL20296977

SCHEMBL20296977

O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1C[C@@H](F)CN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ CTSC P53634 6/20 0.41
▸ DCUN1D1 Q96GG9 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ ESR1 P03372 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18591145 0.82 GRK2 (0.49) CTSCDCUN1D1DPP4UBE2M
SCHEMBL29545839 0.82 GRK2 (0.49) CTSCDCUN1D1DPP4UBE2M
SCHEMBL29840719 0.82 MEN1 (0.50) EPHX2NPSR1
SCHEMBL18591149 0.82 MEN1 (0.50) EPHX2NPSR1
SCHEMBL30945059 0.81 DPP4 (0.54) EPHX2CTSCDPP4
Hydrochloric Acid SCHEMBL18554739 0.81 GRK2 (0.48) CTSCDCUN1D1UBE2M
Hydrochloric Acid SCHEMBL18578488 0.81 MEN1 (0.49) EPHX2NPSR1
SCHEMBL18555058 0.74 CTSC (0.40) CTSCDPP4IDO1
SCHEMBL29840717 0.74 CTSC (0.40) CTSCDPP4IDO1
Hydrochloric Acid SCHEMBL18578638 0.73 CTSC (0.39) CTSCDPP4IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2024-06-20 — — US disclosed
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-03-12 — — US disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — US disclosed
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 — — US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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 (5 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-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH EPHX2 814/4885AKR1C3 282/4885AKR1C2 1330/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH EPHX2 814/4885AKR1C3 282/4885AKR1C2 1330/4885
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH EPHX2 814/4885AKR1C3 282/4885AKR1C2 1330/4885
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH EPHX2 814/4885AKR1C3 282/4885AKR1C2 1330/4885
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH EPHX2 814/4885AKR1C3 282/4885AKR1C2 1330/4885

“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.

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