SCHEMBL12662918

SCHEMBL12662918

CC(=O)c1ccc([S+]([O-])N2C(Cc3cnc[nH]3)C(=O)NC23CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HRH3 Q9Y5N1 4/20 0.36
▸ ATM Q13315 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL12622197 0.88 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12623912 0.81 HRH3 (0.41) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12626435 0.78 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12656063 0.74 LMNA (0.43) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12656338 0.68 LMNA (0.41) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12622139 0.65 GFER (0.60) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12656195 0.65 RAB9A (0.34) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12656286 0.65 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12626312 0.64 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12624106 0.63 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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 (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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 ALDH1A1 2702/4885RAB9A 1724/4885NPC1 2955/4885

“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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