SCHEMBL16111320

SCHEMBL16111320

CCOC(=O)c1ccc(/C=C2\CSC/C(=C/c3ccc(C(=O)OCC)cc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.51
▸ F10 P00742 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ HPGD P15428 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL16111321 1.00 F2 (0.51) F2F10ALDH1A1MAPTRAB9A
SCHEMBL17451530 1.00 F2 (0.51) F2F10ALDH1A1MAPTRAB9A
SCHEMBL17451506 0.95 F2 (0.47) F2F10ALDH1A1MAPTRAB9A
SCHEMBL17451477 0.75 KMT2A (0.53) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL11504407 0.75 CYP1A2 (0.65) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL11504406 0.75 CYP1A2 (0.65) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL9717141 0.73 CA1 (0.66) ALDH1A1MAPTRAB9AKMT2ANPSR1
SCHEMBL10618582 0.73 CA1 (0.66) ALDH1A1MAPTRAB9AKMT2ANPSR1
SCHEMBL11616195 0.73 CA1 (0.66) ALDH1A1MAPTRAB9AKMT2ANPSR1
SCHEMBL9717146 0.73 CA1 (0.66) ALDH1A1MAPTRAB9AKMT2ANPSR1

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-10208012-B2 Compounds for treating inflammatory and hyperproliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-19 — — US disclosed
US-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-01-21 — — US disclosed
WO-2014160339-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-02 — — 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 (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-10208012-B2 Compounds for treating inflammatory and hyperproliferative diseases NFKBIA, PCNA, MYC F2 3103/4885F10 3849/4885ALDH1A1 1609/4885
US-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES NFKBIA, PCNA, MYC F2 3103/4885F10 3849/4885ALDH1A1 1609/4885

“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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