Sugi Predict

Sugi Predict / Compounds / SCHEMBL3868049

SCHEMBL3868049

SCHEMBL3868049

N[C@@H](CNC(=O)c1cccs1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TSHR P16473 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GRIN3B O60391 1/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2C Q14957 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ HDAC1 Q13547 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2237704 1.00 NPC1 (0.62) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL2237288 0.85 KDM4E (0.62) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL3869373 0.85 GAA (0.57) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL1768411 0.85 KDM4E (0.62) NPC1RAB9AKDM4ESMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL3869366 0.84 GAA (0.56) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL2236034 0.82 KDM4E (0.68) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL2236045 0.82 KDM4E (0.68) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL31530573 0.79 RAB9A (0.78) NPC1RAB9AKDM4ESMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5662118 0.79 RAB9A (0.56) NPC1RAB9AKDM4ESMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5551851 0.79 RAB9A (0.56) NPC1RAB9AKDM4ESMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 — — US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 — — EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 — — US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 — — US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 — — US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 — — US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 — — US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 — — US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 — — US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 — — US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 — — US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 — — US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 — — US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 — — US disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 — — EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 — — WO 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 (7 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 NPC1 4012/4885RAB9A 2766/4885KDM4E 4722/4885
US-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A NPC1 2397/4885RAB9A 2103/4885KDM4E 4285/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 NPC1 1872/4885RAB9A 1588/4885KDM4E 4660/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A NPC1 2397/4885RAB9A 2103/4885KDM4E 4285/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 NPC1 2646/4885RAB9A 2133/4885KDM4E 4425/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 NPC1 2646/4885RAB9A 2133/4885KDM4E 4425/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 NPC1 1687/4885RAB9A 1674/4885KDM4E 4606/4885

“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.