SCHEMBL4863519

SCHEMBL4863519

NS(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.59
IDO1 P14902 2/20 0.48
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 3/20 0.43
CA5A P35218 1/20 0.43
KMT2A Q03164 1/20 0.42
CES2 O00748 1/20 0.39
DAO P14920 2/20 0.39
ACP1 P24666 1/20 0.39
CA12 O43570 1/20 0.38
EPHX1 P07099 1/20 0.38
PPARG P37231 1/20 0.37
CYP2D6 P10635 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL7127796 0.83 IDO1 (0.47) KIF11IDO1KMT2ACES2DAO
SCHEMBL4879814 0.81 KIF11 (0.57) KIF11IDO1CA1CA2CA9
SCHEMBL31021484 0.81 KIF11 (0.57) KIF11IDO1CA1CA2CA9
SCHEMBL496729 0.79 ACP1 (0.50) KIF11IDO1CA1CA2CES2
SCHEMBL3130035 0.79 KIF11 (0.89) KIF11IDO1CA1CA2CA9
SCHEMBL2376293 0.79 IDO1 (0.44) KIF11IDO1KMT2ACES2DAO
SCHEMBL2376297 0.79 IDO1 (0.44) KIF11IDO1KMT2ACES2DAO
SCHEMBL773148 0.79 IDO1 (0.44) KIF11IDO1KMT2ACES2DAO
SCHEMBL25407852 0.75 KIF11 (0.50) KIF11IDO1CA1CA2CA9
SCHEMBL341095 0.75 PPARG (0.41) KIF11IDO1CES2DAOACP1

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
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
US-7345040-B2 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INC. (US) 2008-03-18 US disclosed
US-20050250780-A1 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INCORPORATED (US) 2005-11-10 US disclosed
WO-2004035587-A1 REVERSE-TURN MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS, INC. (US) 2004-04-29 WO 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-20050250780-A1 Reverse-turn mimetics and compositions and methods relating thereto TAC3, NTSR1, SCTR KIF11 1562/4885IDO1 935/4885CA1 732/4885

“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.