SCHEMBL49403

SCHEMBL49403

CCC(CN=C=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1A P35348 2/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
GCLC P48506 2/20 0.34
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL1457046 0.81 TRPA1 (0.43) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL9014991 0.80 CA2 (0.57) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL49062 0.79 CA2 (0.50) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL28028706 0.79
SCHEMBL6392027 0.75 CA2 (0.55) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL24982602 0.75
SCHEMBL27602402 0.75
SCHEMBL7144191 0.75
SCHEMBL9245519 0.74 CA2 (0.49) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL28474564 0.74 BLM (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769955-B1 NON-ANTIGENIC AMINE DERIVED POLYMERS AND POLYMER CONJUGATES ENZON INC (US) 2004-03-10 EP claimed
WO-2023055427-A1 SMALL MOLECULE ANTAGONISTS OF PF4 NEW YORK BLOOD CENTER, INC. (US) 2023-04-06 WO disclosed
EP-3330252-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2020-02-12 EP disclosed
EP-2623087-B1 Dental composite materials containing tricyclic plasticisers VOCO GMBH (DE) 2019-07-17 EP disclosed
EP-2623086-B1 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GMBH (DE) 2019-07-10 EP disclosed
US-10314802-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2019-06-11 US disclosed
EP-3330252-A2 ISOPRENYL COMPOUNDS AND METHODS THEREOF Signum Biosciences, Inc. (US) 2018-06-06 EP disclosed
EP-2963012-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2018-01-10 EP disclosed
US-20170368011-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2017-12-28 US disclosed
US-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
EP-0769955-B1 NON-ANTIGENIC AMINE DERIVED POLYMERS AND POLYMER CONJUGATES ENZON INC (US) 2004-03-10 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 WO disclosed
US-6177087-B1 ADMINISTERING A POLYMER CONJUGATE ENZON, INC. 2001-01-23 US disclosed
US-5902588-A Non-antigenic amine derived polymers and polymer conjugates ENZON, INC. (US) 1999-05-11 US disclosed
US-5730990-A Non-antigenic amine derived polymers and polymer conjugates ENZON, INC. (US) 1998-03-24 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 (4 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 CA2 2288/4885MAPK1 3921/4885SLC1A3 3576/4885
US-10314802-B2 Isoprenyl compounds and methods thereof ALOX15B, ALOX15, ALOX5 CA2 4623/4885MAPK1 3315/4885SLC1A3 4806/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B CA2 1809/4885MAPK1 66/4885SLC1A3 3857/4885
US-20170368011-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF ALOX15B, ALOX15, ALOX5 CA2 4623/4885MAPK1 3315/4885SLC1A3 4806/4885

“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.