SCHEMBL2742867

SCHEMBL2742867

O=C(Cc1ccccc1C(=O)O)c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 4/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
HMGB1 P09429 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
CA14 Q9ULX7 1/20 0.61
AKR1B1 P15121 1/20 0.52
FOLH1 Q04609 1/20 0.50
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 1/20 0.46
MEN1 O00255 4/20 0.46

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
SCHEMBL1882000 0.86 AKR1B1 (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
SCHEMBL17641364 0.82 SHBG (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
SCHEMBL338530 0.81 FOLH1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2NAPRT
SCHEMBL10648 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
SCHEMBL7342330 0.80 ALDH1A1 (0.62) ALDH1A1FOLH1HTTALOX15MEN1
SCHEMBL17637544 0.80 TTR (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
Salicylic Acid SCHEMBL28650089 0.80 ALDH1A1 (0.95) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
Salicylic Acid SCHEMBL28120273 0.80 ALDH1A1 (0.95) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
Salicylic Acid SCHEMBL9982 0.80 ALDH1A1 (0.95) ALDH1A1KDM4EHPGDSMN1; SMN2CA12
Salicylic Acid SCHEMBL1262212 0.80 ALDH1A1 (0.95) ALDH1A1KDM4EHPGDSMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 US disclosed
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 US disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 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 (1 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-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT REN, PKD1, AKR1C3 ALDH1A1 139/4885KDM4E 3544/4885HPGD 628/4885

“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.