SCHEMBL3471632

SCHEMBL3471632

CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
IKBKB O14920 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.47
ESR1 P03372 1/20 0.47

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
SCHEMBL120300 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL14593012 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL941127 0.87 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL1495720 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL7621544 0.82 HSD17B2 (0.58) ALDH1A1SMN1; SMN2TSHRCA12CA1
SCHEMBL21032196 0.81 CA1 (0.50) ALDH1A1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL9879781 0.81 LMNA (0.53) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL3165834 0.81 CA1 (0.50) ALDH1A1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL3256021 0.80 CA12 (0.61) ALDH1A1SMN1; SMN2CYP1A2TSHRCA12
SCHEMBL19682940 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2CA12CA1

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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 US disclosed
WO-2010127246-A2 HNF4 MODULATORS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 WO 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 ALDH1A1 810/4885SMN1; SMN2 4488/4885CYP1A2 1647/4885

“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.