SCHEMBL107327

SCHEMBL107327

CC(C)(F)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.61
RARB P10826 1/20 0.55
RARG P13631 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 3/20 0.52
NR1H4 Q96RI1 3/20 0.52
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL4131036 0.86 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
Hydrochloric Acid SCHEMBL11564114 0.84 SRD5A2 (0.59) SRD5A2RARBRARGTP53TSHR
SCHEMBL18130711 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL4861421 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL9178487 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL10013563 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
Ethane SCHEMBL10971565 0.82 SRD5A2 (0.80) SRD5A2RARBRARGTP53TSHR
SCHEMBL78879 0.81 SRD5A2 (0.87) SRD5A2TP53TSHREPHX2RXRA
SCHEMBL71433 0.81 SRD5A2 (0.65) SRD5A2RARBRARGTP53TSHR
SCHEMBL4614343 0.81 SRD5A2 (0.65) SRD5A2RARBRARGTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
CN-101835755-A Novel kinase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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 (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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SRD5A2 4425/4885RARB 4391/4885RARG 4331/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN SRD5A2 3617/4885RARB 4164/4885RARG 4374/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SRD5A2 4425/4885RARB 4391/4885RARG 4331/4885

“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.