SCHEMBL10145040

SCHEMBL10145040

CC(C)(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.69
▸ KIF11 P52732 2/20 0.49
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ RORA P35398 1/20 0.46
▸ HSD11B1 P28845 3/20 0.46
▸ PTPRZ1 P23471 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ UQCRB P14927 2/20 0.45
▸ HSD17B3 P37058 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44

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
SCHEMBL2739639 0.82 ALDH1A1 (0.75) ALDH1A1LMNAMAPK1SMN1; SMN2HTT
SCHEMBL10034520 0.82 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1SMN1; SMN2HTT
SCHEMBL10180000 0.80 ALDH1A1 (0.46) ALDH1A1KIF11LMNAMAPK1SMN1; SMN2
SCHEMBL10179513 0.80 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1SMN1; SMN2RORA
SCHEMBL13416132 0.79 MEN1 (0.44) ALDH1A1KIF11LMNAMAPK1SMN1; SMN2
SCHEMBL5670628 0.78 LMNA (0.47) ALDH1A1KIF11LMNAMAPK1SMN1; SMN2
SCHEMBL11685641 0.78 LMNA (0.47) ALDH1A1KIF11LMNAMAPK1SMN1; SMN2
SCHEMBL8941594 0.77 PTPRZ1 (0.50) ALDH1A1KIF11LMNAMAPK1SMN1; SMN2
SCHEMBL2469177 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1SMN1; SMN2HTT
SCHEMBL22518678 0.77 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230020373-A1 3-N-CYCLOPROPYLMETHYL-2-FLUOROBENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF CAC NANTONG CHEMICAL CO., LTD (CN) 2023-01-19 — — US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 — — US disclosed
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-12-17 — — US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 — — US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 — — US disclosed
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-03-22 — — US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 — — US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 — — US disclosed
US-9714221-B1 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2017-07-25 — — US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 — — US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 — — US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 — — EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 — — US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 — — US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — 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 (8 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 ALDH1A1 184/4885KIF11 2355/4885LMNA 4204/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1934/4885KIF11 3648/4885LMNA 3593/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 ALDH1A1 224/4885KIF11 3633/4885LMNA 4675/4885
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 ALDH1A1 224/4885KIF11 3633/4885LMNA 4675/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH ALDH1A1 892/4885KIF11 1895/4885LMNA 4670/4885
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 ALDH1A1 224/4885KIF11 3633/4885LMNA 4675/4885
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 ALDH1A1 224/4885KIF11 3633/4885LMNA 4675/4885
US-20230020373-A1 3-N-CYCLOPROPYLMETHYL-2-FLUOROBENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, DDT, CYP4F11 ALDH1A1 423/4885KIF11 617/4885LMNA 1835/4885

“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.

Send feedback