SCHEMBL14328024

SCHEMBL14328024

Cc1ccc(-c2nnc(-c3ccncc3)o2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
PKM P14618 1/20 0.64
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
GUSB P08236 1/20 0.57
ATAD2 Q6PL18 2/20 0.56
KDM4E B2RXH2 6/20 0.56
USP2 O75604 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
S1PR1 P21453 1/20 0.55
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 6/20 0.53
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL28005901 0.84 TP53 (0.57) TP53PKMNPC1RAB9AGUSB
SCHEMBL4883972 0.81 TP53 (0.75) TP53PKMNPC1RAB9AATAD2
SCHEMBL9612006 0.80 PKM (0.90) TP53PKMNPC1RAB9AGUSB
SCHEMBL11965041 0.80 PKM (0.90) TP53PKMNPC1RAB9AGUSB
SCHEMBL4883712 0.80 PKM (1.00) TP53PKMNPC1RAB9AATAD2
SCHEMBL1422922 0.80 NPC1 (0.69) TP53NPC1RAB9AGUSBKDM4E
SCHEMBL28273460 0.80 KDM4E (0.65) TP53NPC1RAB9AKDM4EKMT2A
SCHEMBL12918687 0.79 ALDH1A1 (0.53) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL14327840 0.79 S1PR1 (0.80) TP53PKMNPC1RAB9AKDM4E
SCHEMBL1911837 0.78 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 US disclosed
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 US disclosed
US-9382217-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-05 US disclosed
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
US-8530503-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8481573-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-09 US disclosed
US-8466183-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-06-18 US disclosed
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 US disclosed
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 US disclosed
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 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 (6 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-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TP53 4848/4885PKM 2328/4885NPC1 1683/4885
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TP53 4848/4885PKM 2568/4885NPC1 1349/4885
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TP53 4848/4885PKM 2568/4885NPC1 1349/4885
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TP53 4848/4885PKM 2568/4885NPC1 1349/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TP53 4848/4885PKM 2568/4885NPC1 1349/4885
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TP53 4848/4885PKM 2568/4885NPC1 1349/4885

“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.