SCHEMBL108958

SCHEMBL108958

O=C(O)c1ccc(C2(F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
SRD5A2 P31213 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
RXRA P19793 7/20 0.44
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
ALOX15 P16050 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
SCHEMBL15984703 0.87 CTSL (0.44) TSHRTP53SRD5A2CA1CA2
SCHEMBL106104 0.81 ALDH1A1 (0.39) ALOX15ALDH1A1
SCHEMBL17503456 0.77 RXRA (0.64) TSHRTP53SRD5A2CA1CA2
SCHEMBL24076449 0.76 CA1 (0.52) TSHRCA1CA2CA12CA7
SCHEMBL24214190 0.76 TSHR (0.44) TSHRTP53SRD5A2CA1CA2
SCHEMBL17869355 0.76 TSHR (0.55) TSHRTP53SRD5A2CA1CA2
SCHEMBL9471910 0.74 RXRA (0.56) TSHRTP53SRD5A2CA1CA2
SCHEMBL15956227 0.74 TP53 (0.52) TSHRTP53SRD5A2CA1CA2
SCHEMBL668472 0.74 TSHR (0.52) TSHRTP53SRD5A2CA1CA2
SCHEMBL5084654 0.73 TSHR (0.57) TSHRTP53SRD5A2CA1CA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 US disclosed
EP-2729466-B1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-19 EP disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 US disclosed
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2729466-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2014-05-14 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
WO-2013008095-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-01-17 WO 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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US 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
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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 (4 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B TSHR 4236/4885TP53 1670/4885SRD5A2 651/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN TSHR 1229/4885TP53 1892/4885SRD5A2 3617/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC TSHR 3187/4885TP53 3655/4885SRD5A2 2444/4885
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES BTK, LCK, ZAP70 TSHR 3222/4885TP53 430/4885SRD5A2 2870/4885

“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.