SCHEMBL17068802

SCHEMBL17068802

COc1ccc(-c2nnc(SCCC(=O)O)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL17068769 0.90 MAPT (0.41) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL21763932 0.87 TDP1 (0.46) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL6407548 0.80 CYP2C9 (0.52) ALDH1A1CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL23527298 0.80 TSHR (0.57) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL23527367 0.79 ALDH1A1 (0.54) ALDH1A1HPGDKMT2ANPC1TP53
SCHEMBL23527322 0.77 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL14907887 0.77 GRK6 (0.59) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL14907872 0.76 MAPT (0.57) HPGDKDM4ENPC1TP53MAPT
SCHEMBL23527370 0.76 TSHR (0.53) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL23527351 0.76 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 ALDH1A1 4467/4885HPGD 2628/4885MEN1 3011/4885

“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.