SCHEMBL2628166

SCHEMBL2628166

Cc1cccc(Cc2ccccc2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM5B Q9UGL1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BRS3 P32247 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
CTBP2 P56545 1/20 0.45

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
SCHEMBL28412131 0.89 TSHR (0.50) TSHRPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL658650 0.88 KDM4E (0.53) TSHRPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL4977141 0.86 KDM4E (0.49) TSHRPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL2628165 0.86 FOLH1 (0.51) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL28346188 0.84 MRGPRX4 (0.48) TSHRPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL4861257 0.83 TSHR (0.70) TSHRKMT2AKDM4ECA1CA2
SCHEMBL23003 0.82 TSHR (0.79) TSHRALDH1A1KMT2ACA1CA2
SCHEMBL4908158 0.81 TSHR (0.72) TSHRCYP3A4CYP2D6CYP2C19ALDH1A1
Acetic Acid SCHEMBL28245857 0.81 TSHR (0.71) TSHRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6645233 0.81 HPGD (0.54) TSHRCYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 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-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TSHR 499/4885POLB 2329/4885CYP3A4 398/4885
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 TSHR 800/4885POLB 1879/4885CYP3A4 636/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TSHR 499/4885POLB 2329/4885CYP3A4 398/4885
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF XDH, PNPO, PNP TSHR 3217/4885POLB 2341/4885CYP3A4 1101/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TSHR 499/4885POLB 2329/4885CYP3A4 398/4885

“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.