SCHEMBL16260620

SCHEMBL16260620

COc1cc(C(=O)O)cc(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA3 P07451 1/20 0.62
PKM P14618 1/20 0.62
CA5A P35218 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
PTGS2 P35354 1/20 0.58
CNR2 P34972 1/20 0.56
TPMT P51580 3/20 0.55
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.49

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
SCHEMBL668540 0.90 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL801824 0.84 LMNA (0.62) CA12CA1CA2CA4CA6
SCHEMBL6915145 0.83 TPMT (0.56) CA12CA1CA2CA4CA6
SCHEMBL11521410 0.82 CA12 (0.60) CA12CA1CA2CA4CA6
SCHEMBL3355977 0.82 TPMT (0.68) CA12CA1CA2CA4CA6
SCHEMBL56960 0.82 PTGS2 (0.72) CA12CA1CA2CA4CA6
SCHEMBL18969524 0.82 KMT2A (0.51) CA12CA1CA2CA7CA9
SCHEMBL13353970 0.82 TSHR (0.54) CA12CA1CA2CA4CA6
SCHEMBL3230514 0.82 CA12 (0.78) CA12CA1CA2CA4CA6
SCHEMBL17946064 0.82 MEN1 (0.47) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20230322675-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. 2023-10-12 US disclosed
US-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
CN-110997677-A Btk inhibitors with improved dual selectivity 百济神州有限公司 2020-04-10 CN disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
US-9193676-B2 Method for producing compounds comprising nitrile functions RHODIA OPERATIONS (FR) 2015-11-24 US disclosed
US-20140350265-A1 Method for producing compounds comprising nitrile functions RHODIA OPERATIONS (FR) 2014-11-27 US 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 (6 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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN CA12 4675/4885CA1 4810/4885CA2 3319/4885
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN CA12 4675/4885CA1 4810/4885CA2 3319/4885
US-20230322675-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR2, LPAR1, LPAR6 CA12 4342/4885CA1 4737/4885CA2 3842/4885
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 CA12 3655/4885CA1 3660/4885CA2 2116/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN CA12 4675/4885CA1 4810/4885CA2 3319/4885
US-20140350265-A1 Method for producing compounds comprising nitrile functions IDH2, FASN, NOS2 CA12 2594/4885CA1 3336/4885CA2 994/4885

“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.