SCHEMBL3531988

SCHEMBL3531988

CC(C)(C)OC(=O)C(N)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.50
▸ ENPEP Q07075 1/20 0.50
▸ SLC7A5 Q01650 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.43
▸ TPH1 P17752 1/20 0.43
▸ DPP4 P27487 2/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ LTA4H P09960 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
SCHEMBL17486367 0.89 SLC7A5 (0.47) SLC7A5ALDH1A1TPH1ACACBKMT2A
SCHEMBL15876043 0.88 SLC7A5 (0.56) SLC7A5TPH1KMT2AALPIPKM
SCHEMBL28220739 0.88 SLC7A5 (0.56) SLC7A5TPH1KMT2AALPIPKM
SCHEMBL1221379 0.86 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL594132 0.86 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL314142 0.86 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28393119 0.85 LOXL2 (0.51) SLC7A5ALDH1A1DPP4ERAP2LNPEP
Hydrochloric Acid SCHEMBL18321716 0.84 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL237074 0.84 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Acetic Acid SCHEMBL7710564 0.84 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 — — CN disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 — — US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 — — US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 — — CN disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 — — US disclosed
CN-1318403-C Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2007-05-30 — — CN disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 — — US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 — — US disclosed
CN-1668589-A Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 — — CN disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 — — 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 (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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR ANPEP 2749/4885ENPEP 1703/4885SLC7A5 911/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR ANPEP 2749/4885ENPEP 1703/4885SLC7A5 911/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ANPEP 3002/4885ENPEP 1765/4885SLC7A5 1155/4885

“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.

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