SCHEMBL2950404

SCHEMBL2950404

O=S(=O)(c1ccccc1Cl)N1CCC2(CC1)Oc1ccccc1O2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ATM Q13315 1/20 0.50
CCR1 P32246 5/20 0.47
CHRM4 P08173 3/20 0.46
POLB P06746 2/20 0.46
LIPE Q05469 1/20 0.45
TSHR P16473 2/20 0.44
FAAH O00519 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10723724 0.79 CHRM4 (0.64) MAPK1CHRM4POLBTSHRFAAH
SCHEMBL3247291 0.74 CNR1 (0.56) GAAHTTCHRM4POLBTSHR
SCHEMBL4555453 0.74 TSHR (0.78) MAPK1ATMCHRM4POLBTSHR
SCHEMBL31684034 0.74 TSHR (0.78) MAPK1ATMCHRM4POLBTSHR
SCHEMBL2953030 0.73 CCR1 (0.50) GAAMAPK1HTTNPSR1CCR1
SCHEMBL11888958 0.73 FAAH (0.53) GAAMAPK1HTTNPSR1CCR1
SCHEMBL2956787 0.73 CCR1 (0.65) GAAMAPK1HTTNPSR1CCR1
SCHEMBL5247397 0.73 KMT2A (0.59) MAPK1CHRM4TSHRFAAHCYP3A4
SCHEMBL27974780 0.73 CHRM4 (0.54) MAPK1CHRM4TSHRFAAHCYP3A4
SCHEMBL6520040 0.72 CCR1 (0.55) GAAMAPK1HTTNPSR1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 GAA 455/4885MAPK1 4198/4885HTT 3019/4885

“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.