SCHEMBL21939098

SCHEMBL21939098

CCOc1cc(C)sc1NC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHEK1 O14757 4/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL5464054 0.77 ALDH1A1 (0.61) MAPK1ALDH1A1IKBKBKDM4ETHRB
SCHEMBL22434742 0.76 LMNA (0.38) MAPK1ALDH1A1TSHRKDM4ENPC1
SCHEMBL21939097 0.76 TSHR (0.49) MAPK1ALDH1A1TSHRIKBKBNPC1
SCHEMBL22066868 0.73 TSHR (0.46) MAPK1ALDH1A1TSHRIKBKBKDM4E
SCHEMBL11921318 0.71 IKBKB (0.59) ALDH1A1IKBKBTDP1HSD17B10CHEK1
SCHEMBL3083629 0.70 IKBKB (0.50) MAPK1ALDH1A1TSHRIKBKBKDM4E
SCHEMBL21939130 0.70 TSHR (0.45) MAPK1ALDH1A1TSHRKDM4ENPC1
SCHEMBL22434627 0.70 LMNA (0.43) MAPK1ALDH1A1TSHRKDM4ENPC1
SCHEMBL7760816 0.69 TSHR (0.62) ALDH1A1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL21939095 0.69 KMT2A (0.39) MAPK1ALDH1A1TSHRKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 — — US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 — — US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 — — US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 — — EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 — — EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 — — EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 — — US disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 — — 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 (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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 MAPK1 1375/4885ALDH1A1 575/4885TSHR 494/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 MAPK1 1343/4885ALDH1A1 527/4885TSHR 497/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 MAPK1 1894/4885ALDH1A1 468/4885TSHR 654/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 MAPK1 1894/4885ALDH1A1 468/4885TSHR 654/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 MAPK1 1818/4885ALDH1A1 477/4885TSHR 704/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 MAPK1 1968/4885ALDH1A1 418/4885TSHR 1074/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 MAPK1 1818/4885ALDH1A1 477/4885TSHR 704/4885

“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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