SCHEMBL17014699

SCHEMBL17014699

CC(C)c1cc(C(=O)O)ccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ACE2 Q9BYF1 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
TSHR P16473 4/20 0.42

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
SCHEMBL12868650 0.88 ACE2 (0.48) RAB9AHTTLMNAMAPK1CA12
SCHEMBL4695867 0.80 CA12 (0.65) RAB9AHTTLMNAMAPK1CA12
SCHEMBL3367612 0.80 RXRA (0.54) RAB9AHTTLMNAMAPK1CA12
SCHEMBL17014698 0.79 HTT (0.46) RAB9AHTTLMNAMAPK1CA12
SCHEMBL8555020 0.79 RXRA (0.53) RAB9AHTTLMNAMAPK1CA12
SCHEMBL2590647 0.79 RAB9A (0.49) RAB9AHTTLMNAMAPK1CA12
SCHEMBL27051593 0.78 TSHR (0.50) RAB9AHTTLMNAMAPK1CA12
SCHEMBL14248660 0.78 CA12 (0.71) RAB9AHTTLMNAMAPK1CA12
SCHEMBL30708091 0.78 CA12 (0.71) RAB9AHTTLMNAMAPK1CA12
SCHEMBL3547706 0.78 CA12 (0.71) RAB9AHTTLMNAMAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 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 (1 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-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN RAB9A 2172/4885HTT 3159/4885LMNA 4817/4885

“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.