SCHEMBL810153

SCHEMBL810153

Cc1cc(C)c(S(=O)(=O)NC2CCCCC2N)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NR3C1 P04150 4/20 0.40
PGR P06401 3/20 0.40
NR3C2 P08235 3/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SYK P43405 2/20 0.39

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
SCHEMBL810967 0.83 ALDH1A1 (0.50) ALDH1A1LMNANPSR1SYKSMN1; SMN2
SCHEMBL5433387 0.81 ALDH1A1 (0.52) MMP2MMP8MMP13ALDH1A1LMNA
SCHEMBL5418695 0.81 ALDH1A1 (0.52) MMP2MMP8MMP13ALDH1A1LMNA
SCHEMBL810645 0.81 ALDH1A1 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL5422602 0.81 TAS1R3 (0.38) ALDH1A1EPHX2LMNASYKSMN1; SMN2
SCHEMBL5415725 0.81 TAS1R3 (0.38) ALDH1A1EPHX2LMNASYKSMN1; SMN2
SCHEMBL5430997 0.78 ALDH1A1 (0.56) ALDH1A1LMNANPSR1SMN1; SMN2TP53
SCHEMBL5422894 0.78 ALDH1A1 (0.56) ALDH1A1LMNANPSR1SMN1; SMN2TP53
SCHEMBL5422332 0.78 SYK (0.41) ALDH1A1LMNANPSR1SYKSMN1; SMN2
SCHEMBL5416681 0.78 SYK (0.41) ALDH1A1LMNANPSR1SYKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399895-B1 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU (JP) 2018-08-08 EP disclosed
US-9162934-B2 Process for producing optically active alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
EP-2394977-B1 Process for producing optically active alcohol KANTO KAGAKU (JP) 2014-01-08 EP disclosed
US-8558033-B2 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
EP-2399895-A2 Process for producing optically active aliphatic fluoroalcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-28 EP disclosed
EP-2394977-A1 Process for producing optically active alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-14 EP disclosed
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-11-17 US disclosed
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
EP-1439159-B1 Process for producing optically active compound KANTO KAGAKU (JP) 2007-06-20 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
EP-1439159-A1 Process for producing optically active compound Kanto Kagaku Kabushiki Kaisha (JP) 2004-07-21 EP 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-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX CA1 3565/4885CA2 1764/4885MMP1 4117/4885
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, ADH5 CA1 1041/4885CA2 713/4885MMP1 2634/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 CA1 1136/4885CA2 1832/4885MMP1 1539/4885

“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.