SCHEMBL5113001

SCHEMBL5113001

O=C(O)c1cc(CS)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 1/20 0.57
IDO1 P14902 1/20 0.55
MRGPRX4 Q96LA9 2/20 0.53
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
CTSB P07858 2/20 0.45
KLKB1 P03952 1/20 0.44
MMP9 P14780 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
PTPRG P23470 1/20 0.43

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
SCHEMBL13767774 0.85 IDO1 (0.55) FOLH1ALDH1A1TP53IDO1MRGPRX4
SCHEMBL13622158 0.82 ALDH1A1 (0.59) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL844419 0.81 CYP4F2 (0.61) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL27626650 0.81 ALDH1A1 (0.57) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL1671897 0.81 ALDH1A1 (0.57) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL1245996 0.81 CA2 (0.59) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL30402090 0.81 CYP4F2 (0.61) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL19443060 0.81 ALDH1A1 (0.57) ALDH1A1TP53MRGPRX4TDP1KDM4E
Hydrochloric Acid SCHEMBL1671401 0.79 ALDH1A1 (0.55) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL664212 0.79 ALDH1A1 (0.55) ALDH1A1TP53MRGPRX4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
US-20090060968-A1 INHIBITORS OF PHOSPHATASES SAUNDERS JEFFREY O 2009-03-05 US disclosed
US-7439249-B2 Inhibitors of phosphatases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-21 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
EP-1182200-B1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF NIPPON SUISAN KAISHA LTD (JP) 2005-08-31 EP disclosed
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. 2004-07-01 US disclosed
US-6700013-B2 O-BROMOPHENYLACETIC ACID DERIVATIVE CHEMICAL INTERMEDIATE; SMOOTH MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 2004-03-02 US disclosed
US-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD., A JAPAN CORPORATION 2003-11-27 US disclosed
US-6602898-B1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. (JP) 2003-08-05 US disclosed
EP-1182200-A9 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-05-22 EP disclosed
EP-1182200-A1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-02-27 EP 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 (3 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-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 FOLH1 4000/4885ALDH1A1 899/4885TP53 4603/4885
US-20090060968-A1 INHIBITORS OF PHOSPHATASES PPM1G, PPM1A, PPM1F FOLH1 3816/4885ALDH1A1 3240/4885TP53 402/4885
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 FOLH1 4000/4885ALDH1A1 899/4885TP53 4603/4885

“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.