SCHEMBL288244

SCHEMBL288244

N[C@H](Cc1cccs1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.70
CTSC P53634 12/20 0.61
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47

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
SCHEMBL43293 1.00 CYP2C19 (0.70) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL43292 1.00 CYP2C19 (0.70) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7382497 0.98 CYP2C19 (0.68) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7382495 0.98 CYP2C19 (0.68) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
Glycine SCHEMBL8101008 0.93 CYP2C19 (0.62) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL5236901 0.89 CYP2C19 (0.57) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL5236908 0.89 CYP2C19 (0.57) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL7252652 0.87 CYP2C19 (0.54) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL7252654 0.87 CYP2C19 (0.54) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL8483685 0.85 CYP2C19 (0.53) CYP2C19CTSCSLC1A3SLC1A2SLC1A1

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 423 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496313-A Calcium sensitive receptor agonist compounds and uses thereof 北京拓界生物医药科技有限公司 2024-08-16 CN claimed
US-20230041996-A1 CALCIUM-SENSING RECEPTOR AGONIST COMPOUND AND APPLICATION THEREOF BEIJING TUO JIE BIOPHARMACEUTICAL CO. LTD. (CN) 2023-02-09 US claimed
EP-4091623-A1 CALCIUM-SENSING RECEPTOR AGONIST COMPOUND AND APPLICATION THEREOF Beijing Tuo Jie Biopharmaceutical Co. Ltd. (CN) 2022-11-23 EP claimed
CN-114222578-A Calcium-sensitive receptor agonist compounds and application thereof 北京拓界生物医药科技有限公司 2022-03-22 CN claimed
CN-109022514-B Method for preparing 3- (2-thienyl) -D-alanine 南京工业大学 2021-05-11 CN claimed
EP-3339300-B1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY AMINOLOGICS CO LTD (KR) 2020-08-12 EP claimed
US-10562879-B2 Method for preparing thienyl alanine having optical activity AMINOLOGICS CO., LTD. (KR) 2020-02-18 US claimed
CN-109022514-A Method for preparing 3- (2-thienyl) -D-alanine 南京工业大学 2018-12-18 CN claimed
US-20180290996-A1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY AMINOLOGICS CO., LTD. (KR) 2018-10-11 US claimed
EP-3339300-A1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY Aminologics Co., Ltd. (KR) 2018-06-27 EP claimed
EP-2925340-A2 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR University Of Cincinnati (US) 2015-10-07 EP claimed
EP-2922565-A2 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR University Of Cincinnati (US) 2015-09-30 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2014081846-A2 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIVERSITY OF CINCINNATI (US) 2014-05-30 WO claimed
WO-2014081845-A2 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIVERSITY OF CINCINNATI (US) 2014-05-30 WO claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
EP-1023324-A1 TRIVALENT THROMBIN INHIBITOR NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2000-08-02 EP claimed
WO-1999019356-A1 TRIVALENT THROMBIN INHIBITOR NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1999-04-22 WO claimed
EP-0656011-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-07 EP claimed
WO-1994003489-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-17 WO claimed

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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A CYP2C19 402/4885CTSC 1770/4885SLC1A3 2430/4885
US-10562879-B2 Method for preparing thienyl alanine having optical activity ALAD, AADAT, THOP1 CYP2C19 2392/4885CTSC 324/4885SLC1A3 1195/4885
US-20180290996-A1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY ALAD, AADAT, THOP1 CYP2C19 2392/4885CTSC 324/4885SLC1A3 1195/4885

“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.