SCHEMBL19793283

SCHEMBL19793283

COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.70
TSHR P16473 1/20 0.70
ALDH1A1 P00352 3/20 0.70
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
CA4 P22748 2/20 0.70
CA6 P23280 2/20 0.70
CA7 P43166 2/20 0.70
CA9 Q16790 2/20 0.70
CA13 Q8N1Q1 2/20 0.70
CA12 O43570 1/20 0.70
CA14 Q9ULX7 1/20 0.70
CA5B Q9Y2D0 1/20 0.70
GAA P10253 1/20 0.70
HPGD P15428 2/20 0.65
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 1/20 0.65
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62

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
SCHEMBL9031939 1.00 MAPK1 (0.70) MAPK1TSHRALDH1A1CA1CA2
SCHEMBL3365457 0.88 ALDH1A1 (0.70) MAPK1TSHRALDH1A1CA1CA2
SCHEMBL1777398 0.88 ALDH1A1 (0.70) MAPK1TSHRALDH1A1CA1CA2
SCHEMBL3365627 0.88 ALDH1A1 (0.70) MAPK1TSHRALDH1A1CA1CA2
SCHEMBL1209042 0.87 CA1 (0.68) MAPK1ALDH1A1CA1CA2CA4
SCHEMBL2215736 0.87 ALDH1A1 (0.68) TSHRALDH1A1CA1CA2CA4
SCHEMBL6271004 0.87 ALDH1A1 (0.76) ALDH1A1CA1CA2CA4CA6
SCHEMBL6265330 0.87 ALDH1A1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL892079 0.87 ALDH1A1 (0.67) TSHRALDH1A1CA1CA2CA4
SCHEMBL3365950 0.86 ALDH1A1 (0.74) MAPK1TSHRALDH1A1CA1CA2

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
CN-107428736-B Home chemokine inhibitors 癌症研究科技有限公司 2020-08-11 CN disclosed
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 MAPK1 4281/4885TSHR 1495/4885ALDH1A1 4116/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 MAPK1 4412/4885TSHR 1472/4885ALDH1A1 4227/4885

“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.