SCHEMBL24170804

SCHEMBL24170804

CC1(C)CCC(C=O)=C(c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.36
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
PTGS2 P35354 3/20 0.33
FGF23 Q9GZV9 1/20 0.33
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS1 P23219 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28441891 0.87 NPC1 (0.38) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL16076085 0.85 PTGS2 (0.39) NPC1RAB9AALDH1A1HPGDPTGS2
SCHEMBL1700136 0.84 PTGS2 (0.48) ALDH1A1HPGDPTGS2SMN1; SMN2PTGS1
SCHEMBL30790602 0.84 PTGS2 (0.48) ALDH1A1LMNAPTGS2PTGS1
SCHEMBL16037816 0.80 ESR2 (0.33) NPC1RAB9APTGS2PTGS1
SCHEMBL21430409 0.80 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL16038856 0.80 PTGS1 (0.33) PTGS2PTGS1
SCHEMBL21430678 0.79 HTR2C (0.36) ALDH1A1LMNABRD4SMN1; SMN2
SCHEMBL16037711 0.77 SLC6A3 (0.47) ALDH1A1PTGS2PTGS1
SCHEMBL30790565 0.75 HSD17B10 (0.39) ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220110-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-14 US disclosed
US-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-06 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 (2 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-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR BCL2L11, BCL2, BCL2L2 NPC1 2555/4885RAB9A 3440/4885ALDH1A1 2458/4885
US-20220220110-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR BCL2L11, BCL2, BCL2L1 NPC1 2268/4885RAB9A 3042/4885ALDH1A1 3369/4885

“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.