SCHEMBL5355239

SCHEMBL5355239

O=S(=O)(O)c1ccc(Br)c2ccncc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.51
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
COMT P21964 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 6/20 0.35
CA2 P00918 6/20 0.35
CA9 Q16790 6/20 0.35

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
SCHEMBL30987405 1.00 AXL (0.51) AXLRXFP1MEN1KMT2ACOMT
Hydrochloric Acid SCHEMBL28168265 0.98 AXL (0.50) AXLRXFP1MEN1KMT2ACOMT
SCHEMBL20836182 0.87 NAPRT (0.44) COMTNAPRTCSNK1A1CSNK1DCSNK1E
SCHEMBL30842108 0.87 NAPRT (0.44) COMTNAPRTCSNK1A1CSNK1DCSNK1E
SCHEMBL8031733 0.85 NAPRT (0.42) COMTNAPRTCSNK1A1CSNK1DCSNK1E
SCHEMBL19792921 0.84 AXL (0.58) AXLRXFP1MEN1KMT2ACSNK1A1
SCHEMBL17709907 0.83 AXL (0.51) AXLRXFP1MEN1KMT2ACSNK1A1
SCHEMBL26503844 0.79 AXL (0.47) AXLRXFP1MEN1KMT2ACSNK1A1
SCHEMBL29890100 0.77 AXL (0.72) AXLRXFP1MEN1KMT2ASLC22A12
SCHEMBL244397 0.77 AXL (0.72) AXLRXFP1MEN1KMT2ASLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133292-A1 NOVEL CCR8 ANTAGONISTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-27 WO disclosed
CN-107108598-B Thiazoles as Ror gamma t modulators 詹森药业有限公司 2020-11-17 CN disclosed
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-10080744-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-09-25 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
EP-2855440-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] Phenex Pharmaceuticals AG (DE) 2015-04-08 EP disclosed
WO-2013178362-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2013-12-05 WO disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 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 (5 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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B AXL 4458/4885RXFP1 2176/4885MEN1 2122/4885
US-10080744-B2 Thiazoles as modulators of RORγt RORB, RORA, RORC AXL 1111/4885RXFP1 50/4885MEN1 3635/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC AXL 348/4885RXFP1 169/4885MEN1 4431/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC AXL 359/4885RXFP1 151/4885MEN1 4461/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA AXL 1419/4885RXFP1 30/4885MEN1 4093/4885

“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.