SCHEMBL9954790

SCHEMBL9954790

COc1ncc(Br)cc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 2/20 0.36
ALPL P05186 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ALOX15 P16050 1/20 0.35
CCR4 P51679 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1502532 0.84 CA12 (0.44) SHMT2MEN1KMT2APOLBHTT
SCHEMBL27103224 0.84 MEN1 (0.41) SHMT2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL20680333 0.84 SHMT2 (0.40) SHMT2MEN1KMT2APOLBSMN1; SMN2
Ammonia Solution, Strong SCHEMBL27875820 0.83 CA12 (0.42) SHMT2MEN1KMT2APOLBHTT
SCHEMBL9953641 0.81 SHMT2 (0.44) SHMT2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL9955416 0.81 TSHR (0.40) SHMT2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL10289346 0.80 PTGS2 (0.42) KMT2ASMN1; SMN2ALPLGAALMNA
SCHEMBL789757 0.80 GAA (0.58) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL9954692 0.79 SHMT2 (0.42) SHMT2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14305917 0.79 GAA (0.57) MEN1KMT2APOLBSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 US disclosed
EP-3710435-A1 OX1 ANTAGONISTS Heptares Therapeutics Limited (GB) 2020-09-23 EP disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 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 (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-20210179578-A1 OX1 ANTAGONISTS HCRTR1, HCRTR2, OXTR SHMT2 2294/4885MEN1 2694/4885KMT2A 1666/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 SHMT2 4036/4885MEN1 455/4885KMT2A 2000/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 SHMT2 4036/4885MEN1 455/4885KMT2A 2000/4885

“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.