SCHEMBL3499439

SCHEMBL3499439

O=S(=O)(NCCc1cccc2cc(-c3ncc(CCl)s3)[nH]c12)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2658970 0.83 NFKBIA (0.47) TP53HTTALDH1A1TSHRPOLB
SCHEMBL3499438 0.80 NPC1 (0.34) ALDH1A1POLBPKMMAPTNPC1
SCHEMBL1653985 0.77 ALDH1A1 (0.36) HTTALDH1A1TSHRPOLBMAPT
SCHEMBL1654045 0.76 ALDH1A1 (0.33) HTTALDH1A1PKMMAPTNPC1
SCHEMBL1653663 0.75 NFKBIA (0.46) TP53HTTALDH1A1TSHRPOLB
SCHEMBL1653883 0.75 TSHR (0.33) ALDH1A1TSHRMAPTNPC1HPGD
SCHEMBL15888918 0.73 NFKBIA (0.42) TP53HTTALDH1A1TSHRPOLB
SCHEMBL1653252 0.72 TAS2R14 (0.32)
SCHEMBL1653797 0.71 CCR2 (0.39) HTTALDH1A1TSHRPKMMAPT
SCHEMBL3499443 0.71 TUBB4A (0.37)

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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 CYP2D6 251/4885CYP2C9 658/4885CYP2C19 317/4885

“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.