SCHEMBL16562211

SCHEMBL16562211

COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ FPR2 P25090 4/20 0.59
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ LMNA P02545 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ GLA P06280 1/20 0.52

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
SCHEMBL16562224 0.95 ALDH1A1 (0.66) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562132 0.91 ALDH1A1 (0.62) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562274 0.91 ALDH1A1 (0.62) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562078 0.91 PLK1 (0.62) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562279 0.91 ALDH1A1 (0.69) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562197 0.90 MAPT (0.62) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562206 0.90 ALDH1A1 (0.60) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562195 0.89 ALDH1A1 (0.67) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562157 0.89 ALDH1A1 (0.67) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT
SCHEMBL16562134 0.89 ALDH1A1 (0.67) ALDH1A1FPR2RAB9ASMN1; SMN2MAPT

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
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 — — 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 ALDH1A1 88/4885FPR2 2631/4885RAB9A 4781/4885

“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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