SCHEMBL12057606

SCHEMBL12057606

CC(C)(C)OC(=O)Nc1sc2c(c1C(=O)O)CCCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.63
▸ PTPRC P08575 1/20 0.60
▸ PTPN2 P17706 1/20 0.60
▸ PTPRB P23467 1/20 0.60
▸ PTPRE P23469 1/20 0.60
▸ PTPN6 P29350 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ HPGD P15428 3/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ GRIN2C Q14957 2/20 0.58
▸ ABCC1 P33527 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL12057595 0.99 PTPN1 (0.62) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL13631324 0.88 ALDH1A1 (0.56) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL12057605 0.84 MAPT (0.74) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL12057591 0.84 ALDH1A1 (0.58) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL12057607 0.84 ALDH1A1 (0.58) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL16848805 0.81 ALDH1A1 (0.50) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL20541663 0.80 ALDH1A1 (0.74) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL3918254 0.79 MEN1 (0.75) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL22435152 0.78 PTPN1 (0.77) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6247381 0.78 ALDH1A1 (0.70) ALDH1A1GAAMEN1KMT2ANPC1

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
US-8084612-B2 Proline analogs as ligands for cannabinoid receptors PURDUE PHARMA L.P. (US) 2011-12-27 — — US disclosed
US-8084612-B2 Proline analogs as ligands for cannabinoid receptors PURDUE PHARMA L.P. (US) 2011-12-27 — — US disclosed
US-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 — — US disclosed
US-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 — — 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-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS CNR1, CNR2, GPR18 PTPN1 985/4885PTPRC 656/4885PTPN2 1289/4885

“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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