SCHEMBL7419905

SCHEMBL7419905

COc1ccc(CN[C@H](C(=O)O)C(C)(C)S)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.44
ALDH1A1 P00352 2/20 0.44
FFAR1 O14842 1/20 0.44
CASR P41180 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29036587 1.00 LDHA (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL9189408 1.00 LDHA (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL28064619 1.00 LDHA (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL29222561 0.95 ALDH1A1 (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL14935886 0.84 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14935963 0.84 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27985500 0.84 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29157273 0.83 RIPK1 (0.45) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29157275 0.83 RIPK1 (0.45) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6237220 0.80 LDHA (0.57) LDHANPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
US-20250302971-A1 Therapeutic Nanomaterials UNIV CONNECTICUT (US) 2025-10-02 US disclosed
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2025-10-02 US disclosed
US-20250229081-A1 NANOMATERIAL COATED ELECTRODE AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2025-07-17 US disclosed
CN-120202010-A Ligand-oligonucleotide conjugates and linkers for use therewith 上海京新生物医药有限公司 2025-06-24 CN disclosed
US-20250084410-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF Synthorx, Inc. (US) 2025-03-13 US disclosed
US-20250066799-A1 UNNATURAL BASE PAIR COMPOSITIONS AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2025-02-27 US disclosed
EP-4504732-A2 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF University of Connecticut (US) 2025-02-12 EP disclosed
US-12214043-B2 Therapeutic nanomaterials UNIVERSITY OF CONNECTICUT 2025-02-04 US disclosed
US-12173291-B2 Unnatural base pair compositions and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2024-12-24 US disclosed
CN-104159595-A Peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-11-19 CN disclosed
CN-104144695-A Triazole-and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-11-12 CN disclosed
CN-104039342-A Peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-09-10 CN disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-5672583-A Carboxy-peptidyl derivatives as antidegenerative active agents MERCK & CO., INC. (US) 1997-09-30 US disclosed
EP-0671911-A4 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS. MERCK & CO INC (US) 1996-08-21 EP disclosed
EP-0671911-A1 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1995-09-20 EP disclosed
WO-1994012169-A1 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1994-06-09 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 (10 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-20250302971-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT LDHA 3110/4885NPC1 1150/4885RAB9A 2256/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 LDHA 1875/4885NPC1 2006/4885RAB9A 560/4885
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF JAK2, JAK1, CHMP4B LDHA 2837/4885NPC1 264/4885RAB9A 694/4885
US-12173291-B2 Unnatural base pair compositions and methods of use RNGTT, SPOUT1, NPEPPS LDHA 1641/4885NPC1 3618/4885RAB9A 2910/4885
US-20250066799-A1 UNNATURAL BASE PAIR COMPOSITIONS AND METHODS OF USE RNGTT, SPOUT1, NPEPPS LDHA 1641/4885NPC1 3618/4885RAB9A 2910/4885
US-20250084410-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF RNGTT, TRMT1, OSGEP LDHA 2350/4885NPC1 1647/4885RAB9A 2454/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM LDHA 4599/4885NPC1 1622/4885RAB9A 4379/4885
US-12214043-B2 Therapeutic nanomaterials TIE1, TEKT1, POLRMT LDHA 3110/4885NPC1 1150/4885RAB9A 2256/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 LDHA 4805/4885NPC1 3848/4885RAB9A 4807/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 LDHA 4199/4885NPC1 426/4885RAB9A 4235/4885

“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.