SCHEMBL12414645

SCHEMBL12414645

CC(C)c1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
ENPP2 Q13822 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OGA O60502 1/20 0.36

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
SCHEMBL24500280 0.85 CHRNA7 (0.44) CHRNA7SMN1; SMN2KDM4EGAAMAPT
SCHEMBL18653836 0.85 CHRNA7 (0.38) CHRNA7SMN1; SMN2ENPP2KDM4EGAA
SCHEMBL22260437 0.83 CHRNA7 (0.42) CHRNA7SMN1; SMN2NR1H2NR1H3KDM4E
SCHEMBL14299649 0.82 CHRNA7 (0.60) CHRNA7KDM4EGAAMAPTALDH1A1
SCHEMBL12695033 0.82 CHRNA7 (0.46) CHRNA7SMN1; SMN2KDM4EGAAMAPT
SCHEMBL20098094 0.82 ALDH1A1 (0.36) SMN1; SMN2PTGS2PTGS1MAPTALDH1A1
SCHEMBL8820079 0.79 SMN1; SMN2 (0.47) CHRNA7SMN1; SMN2KDM4EGAAMAPT
SCHEMBL16172616 0.79 ALDH1A1 (0.44) CHRNA7SMN1; SMN2KDM4EGAAMAPT
SCHEMBL1853273 0.79 SYK (0.39) CHRNA7SMN1; SMN2ENPP2KDM4EGAA
SCHEMBL16172620 0.78 CHRNA7 (0.43) CHRNA7SMN1; SMN2NR1H2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 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 (10 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 CHRNA7 1248/4885SMN1; SMN2 423/4885PTGS2 3256/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR CHRNA7 4333/4885SMN1; SMN2 3972/4885PTGS2 782/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL CHRNA7 4606/4885SMN1; SMN2 1632/4885PTGS2 4129/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 CHRNA7 4739/4885SMN1; SMN2 3470/4885PTGS2 3971/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CHRNA7 4192/4885SMN1; SMN2 3277/4885PTGS2 2724/4885
US-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E CHRNA7 3891/4885SMN1; SMN2 2418/4885PTGS2 4230/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL CHRNA7 4606/4885SMN1; SMN2 1632/4885PTGS2 4129/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CHRNA7 4842/4885SMN1; SMN2 3156/4885PTGS2 2744/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 CHRNA7 2590/4885SMN1; SMN2 1994/4885PTGS2 2208/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 CHRNA7 1356/4885SMN1; SMN2 3164/4885PTGS2 1519/4885

“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.