SCHEMBL6940225

SCHEMBL6940225

N=C(N)c1ccc(CC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.73
ITGA2B P08514 9/20 0.73
PRSS1 P07477 3/20 0.72
PRSS2 P07478 2/20 0.72
PRSS3 P35030 2/20 0.72
F2 P00734 1/20 0.72
PLG P00747 1/20 0.72
C1S P09871 1/20 0.72
F10 P00742 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
TMPRSS15 P98073 1/20 0.55
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
AKR1B1 P15121 1/20 0.52
ST14 Q9Y5Y6 1/20 0.51
PLAU P00749 1/20 0.51
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50

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
Hydrochloric Acid SCHEMBL8045403 0.98 ITGB3 (0.71) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL1329642 0.84 F2 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL4022608 0.83 PLA2G10 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL24263917 0.82 F2 (0.65) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7310517 0.82 F2 (0.65) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7295273 0.81 F10 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11682104 0.80 PRSS1 (0.62) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7118598 0.80 ITGB3 (0.74) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL69614 0.79 CA2 (0.79) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL11409409 0.79 F2 (0.71) ITGB3ITGA2BPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US claimed
EP-0572560-B1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2003-01-29 EP claimed
EP-0572560-A4 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY. SHAPIRO HOWARD K (US) 1995-04-26 EP claimed
EP-0572560-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1993-12-08 EP claimed
WO-1992014456-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1992-09-03 WO claimed
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-06-02 US disclosed
US-20200354326-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2020-11-12 US disclosed
WO-2019150219-A2 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2019-08-08 WO disclosed
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US disclosed
EP-0572560-B1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2003-01-29 EP disclosed
EP-1056773-A2 ANGIOGENESIS TARGETING MOLECULES RESOLUTION PHARMACEUTICALS INC. (CA) 2000-12-06 EP disclosed
WO-1999040947-A2 ANGIOGENESIS TARGETING MOLECULES RESOLUTION PHARMACEUTICALS INC. (CA) 1999-08-19 WO disclosed
EP-0572560-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1993-12-08 EP disclosed
EP-0560730-A2 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD. (CH) 1993-09-15 EP disclosed
WO-1992014456-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1992-09-03 WO disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4018933-A PENICILLINS; BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 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 (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-20200354326-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 ITGB3 2337/4885ITGA2B 3006/4885PRSS1 3533/4885
US-20030135055-A1 Aminosulfonylbiphenyl derivatives APOB, F12, SERPINB1 ITGB3 292/4885ITGA2B 117/4885PRSS1 34/4885
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 ITGB3 2337/4885ITGA2B 3006/4885PRSS1 3533/4885

“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.