SCHEMBL6439002

SCHEMBL6439002

CCOC(=O)c1ccc(C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
HSD17B2 P37059 1/20 0.59
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
TPMT P51580 1/20 0.57
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
TTR P02766 1/20 0.48

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
SCHEMBL2898513 0.90 HSD17B2 (0.71) TSHRHSD17B2CA12CA1CA2
SCHEMBL4502266 0.88 TTR (0.53) TSHRHSD17B2CA12CA1CA2
SCHEMBL6438999 0.88 HSD17B2 (0.68) TSHRHSD17B2CA12CA1CA2
SCHEMBL30024762 0.88 TSHR (0.60) TSHRHSD17B2CA12CA1CA2
SCHEMBL17559347 0.88 TSHR (0.60) TSHRHSD17B2CA12CA1CA2
SCHEMBL6043927 0.84 TSHR (0.50) TSHRHSD17B2
SCHEMBL11704135 0.84 HSD17B2 (0.55) TSHRHSD17B2CA12CA1CA2
SCHEMBL827667 0.83 TSHR (0.58) TSHRHSD17B2CA12CA1CA2
SCHEMBL7019824 0.83 CA12 (0.65) TSHRCA12CA1CA2CA7
SCHEMBL30221732 0.83 CA12 (0.65) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042316-B1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS NIKEM RESEARCH SRL (IT) 2005-02-09 EP disclosed
US-6506758-B2 4-(5,6-dichloro-1H-indol-2-yl)-N-(1,2,2,6,6-pentamethyl -piperidin-4-yl)benzamide, for example; selective for mammalian osteoclasts, acting to selectively inhibit their bone resorbing activity SMITHKLINE BEECHAM LABORATOIRES PHARMCEUTIQUES (FR) 2003-01-14 US disclosed
US-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES 2002-07-25 US disclosed
EP-1042316-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2000-10-11 EP disclosed
WO-1999033822-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1999-07-08 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-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SOST, NR3C2, EBP TSHR 89/4885HSD17B2 213/4885CA12 3799/4885

“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.