SCHEMBL21496920

SCHEMBL21496920

O=C(NC1CC2(C1)CC(C(=O)O)C2)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.59
ENPP2 Q13822 2/20 0.53
ATXN2 Q99700 2/20 0.53
ROCK2 O75116 1/20 0.53
EPHX1 P07099 1/20 0.52
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CPB1 P15086 2/20 0.47
TLR4 O00206 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL21458319 0.88 ALDH1A1 (0.57) ALDH1A1GAATSHRENPP2ATXN2
SCHEMBL26784194 0.88 ALDH1A1 (0.57) ALDH1A1GAATSHRENPP2ATXN2
SCHEMBL19149069 0.88 ALDH1A1 (0.59) ALDH1A1GAATSHRENPP2ATXN2
SCHEMBL19150112 0.88 ALDH1A1 (0.59) ALDH1A1GAATSHRENPP2ATXN2
SCHEMBL26602184 0.85 ALDH1A1 (0.56) ALDH1A1GAATSHRENPP2ATXN2
SCHEMBL13275491 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL17791355 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL13275492 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL16616249 0.84 ALDH1A1 (0.58) ALDH1A1GAATSHRENPP2ATXN2
SCHEMBL19150130 0.84 ALDH1A1 (0.58) ALDH1A1GAATSHRENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313208-B Bicyclic carboxamides and methods of use thereof 泰普斯特医疗公司 2024-04-19 CN disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
EP-3781550-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF Tempest Therapeutics, Inc. (US) 2021-02-24 EP disclosed
WO-2019204523-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. (US) 2019-10-24 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 (1 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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 ALDH1A1 1126/4885GAA 3610/4885TSHR 1453/4885

“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.