SCHEMBL16205255

SCHEMBL16205255

C[C@@]1(O)CCCc2cc(C(=O)O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.59
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
GRM1 Q13255 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
RXRA P19793 8/20 0.50
RXRB P28702 4/20 0.50
RXRG P48443 4/20 0.50
PGR P06401 1/20 0.45
RARB P10826 6/20 0.44
RARG P13631 5/20 0.44
RARA P10276 4/20 0.44
CYP26A1 O43174 1/20 0.44

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
SCHEMBL16002902 1.00 KDM1A (0.59) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL17551922 0.90 KDM4E (0.60) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL18213884 0.90 KDM4E (0.60) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL12620611 0.88 MAPT (0.49) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL8375020 0.86 RXRA (0.61) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL17551921 0.84 KDM1A (0.43) KDM1AALDH1A1KDM4EMAPTRXRA
SCHEMBL12620614 0.82 GNG2 (0.48) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL12517371 0.81 PDE4D (0.52) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL16840190 0.81 KDM1A (0.63) KDM1AALDH1A1KDM4EMAPTPOLB
SCHEMBL16205257 0.81 KDM1A (0.56) KDM1AALDH1A1KDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083560-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 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-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 KDM1A 1037/4885ALDH1A1 3044/4885KDM4E 1078/4885
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK KDM1A 1302/4885ALDH1A1 4122/4885KDM4E 511/4885

“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.