SCHEMBL1104967

SCHEMBL1104967

CCBOc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 7/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
TEAD4 Q15561 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAOA P21397 3/20 0.38
NR4A1 P22736 1/20 0.38
APP P05067 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 2/20 0.37
GFER P55789 2/20 0.37
PSMD14 O00487 1/20 0.37

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
SCHEMBL1104964 0.74 CA2 (0.59) TSHRALDH1A1SMN1; SMN2
SCHEMBL201046 0.72 ALDH1A1 (0.55) TDP1TSHRMAPK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3880970 0.70 ALDH1A1 (0.52) TDP1TSHRMAPK1ALDH1A1CYP3A4
Propane SCHEMBL29024978 0.70 ALDH1A1 (0.78) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL1104962 0.70 CA1 (0.50) TSHRMAPK1ALDH1A1CYP3A4MAPT
SCHEMBL1104957 0.70 ALDH1A1 (0.39) TDP1TSHRALDH1A1RAB9ANPC1
SCHEMBL15703 0.69 TDP1 (1.00) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL14423922 0.69 MAPT (0.42) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL5148477 0.69 ALDH1A1 (0.50) TDP1TSHRMAPK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL4381222 0.67 TDP1 (0.95) TDP1TSHRMAPK1ALDH1A1CYP3A4

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-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 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 (2 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 TDP1 2446/4885TSHR 3237/4885MAPK1 3534/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 TDP1 2446/4885TSHR 3237/4885MAPK1 3534/4885

“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.