SCHEMBL722642

SCHEMBL722642

NC(=O)OC(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SRC P12931 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL17491377 0.88 SMN1; SMN2 (0.48) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL28764503 0.84 ALDH1A1 (0.51) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL11795879 0.84 SMN1; SMN2 (0.46) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL12134271 0.83 SRC (0.50) CYP2D6SRCALDH1A1CYP3A4LMNA
SCHEMBL7464800 0.82 SMN1; SMN2 (0.44) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL7454241 0.82 SMN1; SMN2 (0.44) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL7454235 0.82 SMN1; SMN2 (0.44) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL418307 0.82 ALDH1A1 (0.69) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL22355972 0.81 KMT2A (0.56) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL22356140 0.81 KMT2A (0.56) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054244-A1 CELLULAR DATA LIBRARY AND METHODS OF USING THE SAME CELLARITY, INC. (US) 2025-03-13 WO claimed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
US-20130224211-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-29 US claimed
WO-2012027555-A2 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-01 WO claimed
US-4489208-A Process for producing D(-)mandelic acid E.N.I. NAZIONALE IDROCARBURI (IT) 1984-12-18 US claimed
US-20250249153-A1 Improved Synthesis of Taurolidine, Purity Profiles and Polymorphs CORMEDIX INC. (US) 2025-08-07 US disclosed
WO-2025054244-A1 CELLULAR DATA LIBRARY AND METHODS OF USING THE SAME CELLARITY, INC. (US) 2025-03-13 WO disclosed
EP-4507746-A1 IMPROVED SYNTHESIS OF TAUROLIDINE, PURITY PROFILES AND POLYMORPHS Cormedix Inc. (US) 2025-02-19 EP disclosed
CN-118974138-A Phosphine-borane catalyst compounds and uses thereof 埃克森美孚化学专利公司 2024-11-15 CN disclosed
CN-118974137-A Tertiary pnicogen onium-borane catalyst compounds and uses thereof 埃克森美孚化学专利公司 2024-11-15 CN disclosed
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2024-03-07 US disclosed
US-11891448-B2 Glycated CD59 peptides, their preparation, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-02-06 US disclosed
EP-1921917-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-05-21 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
EP-1796669-A2 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2007024993-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-03-01 WO disclosed
WO-2006039325-A2 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
US-4489208-A Process for producing D(-)mandelic acid E.N.I. NAZIONALE IDROCARBURI (IT) 1984-12-18 US disclosed
US-4332905-A STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF RACEMIC 5-SUBSTITUTED 2,4-OXAZOLIDINEDIONES E.N.I. ENTE NOZIONALE IDROCARBURI (IT) 1982-06-01 US disclosed
US-3998816-A 7-[5-N-(n-Butoxyethoxy carbonyl and 2-chloroethoxy carbonyl)-amino] cephalosporins C MEIJI SEIKA KAISHA, LTD. (JA) 1976-12-21 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 (5 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-11891448-B2 Glycated CD59 peptides, their preparation, and uses thereof CD59, SIGLEC9, CD209 CYP2D6 4534/4885SMN1; SMN2 2623/4885CYP1A2 4744/4885
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CYP2D6 327/4885SMN1; SMN2 4325/4885CYP1A2 523/4885
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 CYP2D6 4605/4885SMN1; SMN2 4091/4885CYP1A2 4742/4885
US-20250249153-A1 Improved Synthesis of Taurolidine, Purity Profiles and Polymorphs MAPT, UROD, PRNP CYP2D6 224/4885SMN1; SMN2 627/4885CYP1A2 51/4885
US-20130224211-A1 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF CD59, SIGLEC9, CD209 CYP2D6 4534/4885SMN1; SMN2 2623/4885CYP1A2 4744/4885

“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.