SCHEMBL17367674

SCHEMBL17367674

CC1CCCN(S(=O)(=O)c2ccccc2Br)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
AKR1C3 P42330 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CCR1 P32246 2/20 0.51
KDM4E B2RXH2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
BRD4 O60885 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
EPHX2 P34913 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL17367679 0.91 TSHR (0.55) TSHRALDH1A1LMNAPOLBNPSR1
SCHEMBL17367681 0.91 TSHR (0.55) TSHRALDH1A1LMNAPOLBNPSR1
SCHEMBL15918290 0.83 CCR1 (0.51) TSHRALDH1A1CCR1KDM4EEPHX2
SCHEMBL15915551 0.83 CCR1 (0.51) TSHRALDH1A1CCR1KDM4EEPHX2
SCHEMBL15916089 0.83 CCR1 (0.56) TSHRALDH1A1POLBHTTAKR1C3
SCHEMBL17367675 0.82 LMNA (0.65) TSHRALDH1A1LMNAPOLBHTT
Hydrochloric Acid SCHEMBL15916404 0.82 CCR1 (0.50) TSHRALDH1A1CCR1KDM4EEPHX2
SCHEMBL29973515 0.80 TSHR (0.66) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL15917236 0.80 TSHR (0.71) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL15915552 0.80 ALOX5AP (0.48) TSHRALDH1A1HTTCCR1KDM4E

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-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R TSHR 2884/4885ALDH1A1 200/4885LMNA 3880/4885

“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.