SCHEMBL7211374

SCHEMBL7211374

NC(=O)C1CCCCCCCS1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
EPHX1 P07099 8/20 0.37
ALOX5 P09917 2/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL1982532 0.98
SCHEMBL4286200 0.91
SCHEMBL29637725 0.79 NOS2 (0.41) NOS2EPHX1CES2CES1NPC1
SCHEMBL1260199 0.78
SCHEMBL6645101 0.76
SCHEMBL9303780 0.74
SCHEMBL15116589 0.74
SCHEMBL30075884 0.74 NOS2 (0.38) NOS2EPHX1CES2CES1NPC1
SCHEMBL30425687 0.73 NOS2 (0.40) NOS2
SCHEMBL7454047 0.73 NOS2 (0.40) NOS2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078440-B2 6-(2-aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-14 US claimed
US-4599416-A Process for the preparation of aqueous solutions of potentiated sulfonamides HOFFMANN-LA ROCHE INC. (US) 1986-07-08 US claimed
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
EP-2678349-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-01 EP disclosed
WO-2012115256-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 WO disclosed
US-6616863-B1 The enhanced electrical conductivity is isotropic as compared to a stretch oriental film which has isotropic electrical conductivity. INTERNATIONAL BUSINESS MACHINES CORPORATION 2003-09-09 US disclosed
WO-2000006172-A1 TREATMENT OF EQUINE PROTOZOAN MYELOENCEPHALITIS USING TRIAZINEDIONES MORTAR & PESTLE VETERINARY PHARMACY, INC. (US) 2000-02-10 WO disclosed
US-5830893-A Treatment of equine protozoan myeloencephalitis using triazinediones MORTAR & PESTLE VETERINARY PHARMACY, INC. (US) 1998-11-03 US disclosed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 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 (1 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-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 NOS2 4792/4885EPHX1 4578/4885ALOX5 4681/4885

“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.