SCHEMBL4190832

SCHEMBL4190832

O=C(N1CCc2c[c]ccc21)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
NOTUM Q6P988 4/20 0.40
TSHR P16473 2/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP11B2 P19099 2/20 0.37
ABHD6 Q9BV23 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1165734 0.80 NOTUM (0.60) NOTUMCYP11B2ALDH1A1HPGDNPC1
SCHEMBL1451182 0.79 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL31513387 0.78 NOTUM (0.62) CA12CA1CA2CA7CA9
SCHEMBL2188078 0.78 NOTUM (0.62) CA12CA1CA2CA7CA9
SCHEMBL7469070 0.77 ESR1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL698549 0.76 TSHR (0.63) TSHRCYP11B2ALDH1A1HPGDMEN1
SCHEMBL20914962 0.75 GPR119 (0.43) NOTUMHDAC6HDAC1ESR2NPC1
SCHEMBL697671 0.75 HPGD (0.68) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL952264 0.75 ESR1 (0.59) NOTUMHDAC6HDAC1HDAC3ESR1
SCHEMBL8801961 0.74 CA1 (0.64) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-9095575-B2 Derivatives of 1-(substituted sulfonyl)-2-aminoimidazoline as antitumor and antiproliferative agents ONCOARENDI THERAPEUTICS SPOLKA AKCYJNA (PL) 2015-08-04 US disclosed
US-8981114-B2 Derivatives of 1-(substituted sulfonyl)-2-aminoimidazoline as antitumor and antiproliferative agents ONCOARENDI THERAPEUTICS SPOLKA AKCYJNA (PL) 2015-03-17 US disclosed
US-20140309240-A1 DERIVATIVES OF 1-(SUBSTITUTED SULFONYL)-2-AMINOIMIDAZOLINE AS ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ONCOARENDI THERAPEUTICS SPOLKA AKCYJNA (PL) 2014-10-16 US disclosed
US-20140309259-A1 DERIVATIVES OF 1-(SUBSTITUTED SULFONYL)-2-AMINOIMIDAZOLINE AS ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ONCOARENDI THERAPEUTICS SPOLKA AKCYJNA (PL) 2014-10-16 US disclosed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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-20140309259-A1 DERIVATIVES OF 1-(SUBSTITUTED SULFONYL)-2-AMINOIMIDAZOLINE AS ANTITUMOR AND ANTIPROLIFERATIVE AGENTS CCNI, CCNE1, CDKN1A CA12 3553/4885CA1 3068/4885CA2 2197/4885
US-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 CA12 2258/4885CA1 1664/4885CA2 2224/4885
US-20140309240-A1 DERIVATIVES OF 1-(SUBSTITUTED SULFONYL)-2-AMINOIMIDAZOLINE AS ANTITUMOR AND ANTIPROLIFERATIVE AGENTS CCNI, CCNE1, CDKN1A CA12 3553/4885CA1 3068/4885CA2 2197/4885

“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.