SCHEMBL18555083

SCHEMBL18555083

O=Cc1ccc2c(c1)c(Br)nn2CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ PTGER4 P35408 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL18555054 0.81 PTGER4 (0.35) PTGER4LMNAKDM4E
SCHEMBL29841160 0.81 PTGER4 (0.35) PTGER4LMNAKDM4E
SCHEMBL18610932 0.79 MEN1 (0.42) PTGER4LMNATSHRALOX15KDM4E
SCHEMBL31481214 0.76 HSD17B10 (0.65) HSD17B10LMNATSHRALOX15KDM4E
SCHEMBL31140078 0.72 PTGER4 (0.37) PTGER4KDM4E
SCHEMBL29002820 0.69 KDM4E (0.68) PTGER4LMNAPTGDR2KDM4E
SCHEMBL9951845 0.69 MAP2K4 (0.40) PTGER4LMNA
SCHEMBL28209420 0.69 ALDH1A1 (0.35) PTGER4KDM4E
SCHEMBL18555230 0.68 KDM4E (0.47) HSD17B10PTGDR2KDM4E
SCHEMBL1693155 0.68 ESRRA (0.49) PTGER4

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 10 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-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-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-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

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

For each of this compound's patents that has machine-readable text (7 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 HSD17B10 991/4885PTGER4 2315/4885LMNA 1125/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 HSD17B10 991/4885PTGER4 2315/4885LMNA 1125/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HSD17B10 1124/4885PTGER4 2145/4885LMNA 1087/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HSD17B10 991/4885PTGER4 2315/4885LMNA 1125/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HSD17B10 991/4885PTGER4 2315/4885LMNA 1125/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HSD17B10 991/4885PTGER4 2315/4885LMNA 1125/4885
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HSD17B10 991/4885PTGER4 2315/4885LMNA 1125/4885

“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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