SCHEMBL2917519

SCHEMBL2917519

CC(NC(=O)c1ccncc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
CA1 P00915 2/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PTGS2 P35354 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.53
ROCK2 O75116 1/20 0.53
RPS6KA5 O75582 1/20 0.53
MAP4K4 O95819 1/20 0.53
CDK1 P06493 1/20 0.53
CSF1R P07333 1/20 0.53
PRKACA P17612 1/20 0.53
FLT1 P17948 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
AKT1 P31749 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL5131090 1.00 CA2 (0.57) CA2CA1MAOAMAOBPTGS2
SCHEMBL2917517 1.00 CA2 (0.57) CA2CA1MAOAMAOBPTGS2
SCHEMBL11103438 0.86 CA2 (0.71) CA2CA1ALDH1A1LMNAMEN1
SCHEMBL11103451 0.86 CA2 (0.71) CA2CA1ALDH1A1LMNAMEN1
SCHEMBL24590569 0.85 MAOA (0.56) MAOAMAOBPTGS2ALDH1A1MAPK1
SCHEMBL18457430 0.85 MAOA (0.56) MAOAMAOBPTGS2ALDH1A1MAPK1
SCHEMBL18416073 0.84 MAOA (0.54) MAOAMAOBPTGS2ALDH1A1MAPK1
SCHEMBL8803477 0.84 MAOA (0.54) CA1MAOAMAOBPTGS2ALDH1A1
SCHEMBL12320662 0.84 MAOA (0.54) CA1MAOAMAOBPTGS2ALDH1A1
SCHEMBL4664485 0.84 MAOA (0.54) CA1MAOAMAOBPTGS2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4051269-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME KemPharm, Inc. (US) 2022-09-07 EP disclosed
WO-2021086426-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2021-05-06 WO disclosed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US disclosed
EP-1607394-B1 WATER-SOLUBLE THALIDOMINE DERIVATIVES TIAN JIN HEMAY BIO TECH CO LTD (CN) 2010-09-01 EP disclosed
US-7741342-B2 Water-soluble thalidomine derivatives Zhang, Hesheng (CN) 2010-06-22 US disclosed
US-20060094730-A1 having increased bioavailability when administered orally or by injection; used for treating erythema, behcet's syndrome, crohn's disease, rheumatoid arthritis, abnormal myeloidosis syndrome and tumors ZHANG, HESHENG (CN) 2006-05-04 US disclosed
EP-1607394-A1 WATER-SOLUBLE THALIDOMINE DERIVATIVES Tian Jin Hemay Bio-Tech Co., Ltd. (DE) 2005-12-21 EP disclosed
US-5756650-A COMPOSITION COMPRISING POLYAMIC ACID, CURE ACCELERATOR SELECTED FROM GROUP CONSISTING OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AMINO ACID COMPOUND, AROMATIC COMPOUND HAVING TWO OR MORE HYDROXYL GROUPS KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-26 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 (2 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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES CCNH, CBR1, CBR3 CA2 2630/4885CA1 2350/4885MAOA 4747/4885
US-20060094730-A1 having increased bioavailability when administered orally or by injection; used for treating erythema, behcet's syndrome, crohn's disease, rheumatoid arthritis, abnormal myeloidosis syndrome and tumors FCGRT, MALT1, IL1R1 CA2 4111/4885CA1 4241/4885MAOA 2852/4885

“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.