SCHEMBL1108433

SCHEMBL1108433

O=S(=O)(Cl)c1ccc2c3c(cccc13)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
KDM4E B2RXH2 10/20 0.58
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 6/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 2/20 0.43
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 1/20 0.38

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
SCHEMBL1729565 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL11422536 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL11422534 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL1096806 0.75 KDM4E (0.49) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL7518004 0.74 ESR1 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL3133065 0.73 CDK2 (0.46) ALDH1A1KDM4ESMN1; SMN2HSD17B10CYP3A4
SCHEMBL29904571 0.73 CDK2 (0.46) ALDH1A1KDM4ESMN1; SMN2HSD17B10CYP3A4
SCHEMBL9165551 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL1097594 0.72 AURKA (0.34) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5368108 0.70 KDM4E (0.57) ALDH1A1KDM4ELMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 US disclosed
US-4265633-A Process for the manufacture of vat dyes CIBA-GEIGY AG (CH) 1981-05-05 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-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES BMP2, BMP1, MYOF ALDH1A1 4738/4885KDM4E 3883/4885LMNA 3063/4885

“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.