SCHEMBL21483640

SCHEMBL21483640

CC(C)n1cc(C(F)(F)F)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
KDM4E B2RXH2 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL15043713 0.82 SCN10A (0.36) ADORA2AADORA1ALDH1A1PTGS2HTT
SCHEMBL19892577 0.74 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AHTTL3MBTL1
SCHEMBL7052356 0.74 GSK3A (0.40) KDM4ERXFP1ALDH1A1KMT2AHTT
SCHEMBL1106476 0.74 ADORA2A (0.51) ADORA2AADORA1PTGS2
SCHEMBL10119732 0.74 PTGS2 (0.47) ADORA2AADORA1KDM4EALDH1A1KMT2A
SCHEMBL2609179 0.73 KDM4E (0.47) KDM4ERXFP1ALDH1A1KMT2AHTT
Hydrochloric Acid SCHEMBL25410283 0.72 GSK3A (0.39) KDM4ERXFP1ALDH1A1KMT2AHTT
SCHEMBL17973812 0.72 KRAS (0.40) P2RX3KRASSOS1ALDH1A1PTGS2
SCHEMBL15043724 0.72 PTGS2 (0.39) ALDH1A1KMT2APTGS2L3MBTL1LMNA
SCHEMBL1106491 0.71 KDM4E (0.44) ADORA2AADORA1KDM4EALDH1A1PTGS2

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
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R P2RX3 594/4885ADORA2A 545/4885ADORA1 462/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 P2RX3 685/4885ADORA2A 1727/4885ADORA1 1283/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 P2RX3 592/4885ADORA2A 1739/4885ADORA1 1567/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 P2RX3 685/4885ADORA2A 1727/4885ADORA1 1283/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 P2RX3 760/4885ADORA2A 2275/4885ADORA1 2189/4885

“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.