SCHEMBL12173053

SCHEMBL12173053

CCCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.78
▸ MEN1 O00255 4/20 0.78
▸ PPARA Q07869 1/20 0.78
▸ GPR35 Q9HC97 1/20 0.78
▸ SMN1; SMN2 Q16637 6/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ MAPT P10636 4/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ RAB9A P51151 5/20 0.64
▸ HTT P42858 1/20 0.64
▸ HPGD P15428 2/20 0.64
▸ RECQL P46063 1/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ GLA P06280 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ NPC1 O15118 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ TSHR P16473 1/20 0.58

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
SCHEMBL12700202 0.92 ALDH1A1 (0.73) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL12173050 0.84 SMN1; SMN2 (0.60) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL12835336 0.84 ALDH1A1 (0.70) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL10943491 0.84 HPGD (0.78) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12173044 0.83 ALDH1A1 (0.65) KMT2AMEN1PPARAGPR35SMN1; SMN2
Phthalic Acid SCHEMBL28042168 0.83 TSHR (0.71) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL12173043 0.82 ALDH1A1 (0.58) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL18132366 0.82 PLK1 (0.65) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL13927144 0.82 ALDH1A1 (0.75) KMT2AMEN1PPARAGPR35SMN1; SMN2
SCHEMBL12173048 0.82 ALDH1A1 (0.60) KMT2AMEN1PPARAGPR35SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885PPARA 694/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885PPARA 694/4885

“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.

Send feedback