SCHEMBL5188024

SCHEMBL5188024

Cc1ccc(S(=O)(=O)N2CC3C[C@@]3(CO)[C@@H]2c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 3/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.44
MMP2 P08253 3/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5164026 1.00 NPSR1 (0.51) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5164018 1.00 NPSR1 (0.51) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5409593 1.00 NPSR1 (0.51) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5421196 0.81 NPSR1 (0.56) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5161999 0.81 NPSR1 (0.56) NPSR1TSHRGAAMAPTMMP2
SCHEMBL14446208 0.81 NPSR1 (0.56) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5161997 0.81 NPSR1 (0.56) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5161180 0.80 NPSR1 (0.52) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5162595 0.80 NPSR1 (0.52) NPSR1TSHRGAAMAPTMMP2
SCHEMBL5161971 0.78 NPSR1 (0.50) NPSR1TSHRGAAMAPTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 NPSR1 9/4885TSHR 1166/4885GAA 1756/4885

“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.