SCHEMBL1972036

SCHEMBL1972036

CCCCN1CCCC1CO

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.61
SPHK1 Q9NYA1 5/20 0.61
S1PR1 P21453 3/20 0.53
S1PR3 Q99500 3/20 0.53
S1PR5 Q9H228 3/20 0.53
S1PR4 O95977 1/20 0.53
OPRD1 P41143 1/20 0.49
GBA2 Q9HCG7 7/20 0.49
GBA1 P04062 2/20 0.42
UGCG Q16739 2/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
AGL P35573 1/20 0.42

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
SCHEMBL11929539 1.00 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11929540 1.00 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23777202 0.94 SPHK2 (0.56) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL4383140 0.94 SPHK2 (0.64) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL7367083 0.94 SPHK2 (0.56) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL20330675 0.94 SPHK2 (0.64) SPHK2SPHK1S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL27684543 0.93 SPHK2 (0.55) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL19223769 0.93 SPHK2 (0.67) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL7270850 0.89 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23866033 0.89 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
EP-2448956-B1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 US disclosed
EP-0332570-A2 Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-13 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 (2 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 SPHK2 3251/4885SPHK1 3965/4885S1PR1 4225/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT SPHK2 2527/4885SPHK1 3207/4885S1PR1 3967/4885

“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.