SCHEMBL2744764

SCHEMBL2744764

NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
MAPT P10636 2/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NPC1 O15118 1/20 0.70
USP2 O75604 1/20 0.66
GAA P10253 1/20 0.65
MAPK1 P28482 3/20 0.62
GLA P06280 1/20 0.62
POLB P06746 2/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL2744997 0.98 USP2 (0.69) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL17303465 0.85 ALDH1A1 (0.74) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL160989 0.85 ALDH1A1 (0.70) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2744785 0.85 L3MBTL1 (0.70) ALDH1A1SMN1; SMN2NPC1GAAMAPK1
SCHEMBL3350798 0.84 MAPT (0.72) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14057769 0.83 KMT2A (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4212318 0.82 LMNA (0.71) ALDH1A1MAPTSMN1; SMN2NPC1KMT2A
SCHEMBL6890933 0.82 GAA (0.69) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3343714 0.82 ALDH1A1 (0.70) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1832051 0.82 USP2 (0.71) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 CN claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 CN disclosed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 EP disclosed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2005-09-08 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
US-6696567-B2 INHIBITION OF PROTEIN KINASES OR JANUS KINASE 3; TREATING OR PREVENTING ORGAN TRANSPLANT REJECTION, XENO TRANSPLATION, LUPUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, PSORIASIS, TYPE I DIABETES OR VARIOUS DISEASE COMPLICATIONS PFIZER INC. 2004-02-24 US disclosed
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 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 (7 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-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR ALDH1A1 1851/4885MAPT 2530/4885RAB9A 381/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 ALDH1A1 1475/4885MAPT 4534/4885RAB9A 925/4885
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 ALDH1A1 1719/4885MAPT 3379/4885RAB9A 1772/4885
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds CDK2, CDK3, JAK3 ALDH1A1 2505/4885MAPT 3071/4885RAB9A 2542/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 ALDH1A1 1719/4885MAPT 3379/4885RAB9A 1772/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO ALDH1A1 2214/4885MAPT 4520/4885RAB9A 610/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO ALDH1A1 2214/4885MAPT 4520/4885RAB9A 610/4885

“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.