SCHEMBL19793291

SCHEMBL19793291

Cc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.72
TSHR P16473 4/20 0.71
MAPK1 P28482 1/20 0.71
KMT2A Q03164 2/20 0.66
POLB P06746 1/20 0.66
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
CA5B Q9Y2D0 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.59
ATM Q13315 1/20 0.59

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
SCHEMBL17967205 1.00 RECQL (0.72) RECQLTSHRMAPK1KMT2APOLB
SCHEMBL2636575 1.00 RECQL (0.72) RECQLTSHRMAPK1KMT2APOLB
SCHEMBL20676025 0.92 CA12 (0.74) RECQLTSHRMAPK1KMT2APOLB
SCHEMBL20901655 0.87 TSHR (0.71) TSHRMAPK1KMT2ASMN1; SMN2HPGD
SCHEMBL17324804 0.87 TSHR (0.71) TSHRMAPK1KMT2ASMN1; SMN2HPGD
SCHEMBL5842526 0.86 TSHR (0.69) TSHRMAPK1KMT2APOLBSMN1; SMN2
SCHEMBL3367424 0.85 CA12 (0.67) RECQLTSHRMAPK1KMT2APOLB
SCHEMBL1776720 0.85 CA12 (0.67) RECQLTSHRMAPK1KMT2APOLB
SCHEMBL3365962 0.85 CA12 (0.67) RECQLTSHRMAPK1KMT2APOLB
SCHEMBL892508 0.85 CA12 (0.66) RECQLTSHRKMT2APOLBCA12

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-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
CN-107428736-A Oneself chemotactic element inhibitor 癌症研究科技有限公司 2017-12-01 CN 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 RECQL 4/4885TSHR 1495/4885MAPK1 4281/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 RECQL 4/4885TSHR 1472/4885MAPK1 4412/4885

“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.