SCHEMBL8200410

SCHEMBL8200410

Cc1ccc(S(=O)(=O)N2CCC3(CCCNC3)Cc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ATM Q13315 1/20 0.42
AKR1B1 P15121 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HTR6 P50406 1/20 0.39
KCNN4 O15554 1/20 0.39
KCNA3 P22001 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
SCHEMBL8199754 0.82 CYP1A2 (0.53) MEN1KMT2AATMAKR1B1TP53
SCHEMBL8215455 0.80 MEN1 (0.40) MEN1KMT2AATMAKR1B1TP53
SCHEMBL8191594 0.78 AKR1B1 (0.45) MEN1KMT2AATMAKR1B1TP53
SCHEMBL8201112 0.77 MEN1 (0.43) MEN1KMT2AATMAKR1B1TP53
SCHEMBL12164480 0.75 AKR1B1 (0.44) MEN1KMT2AATMAKR1B1TP53
SCHEMBL4752822 0.74 LMNA (0.43) MEN1KMT2AATMTP53MAPT
SCHEMBL4752501 0.74 AKR1B1 (0.47) MEN1KMT2AATMAKR1B1TP53
SCHEMBL8193103 0.74 TP53 (0.44) MEN1KMT2AATMAKR1B1TP53
SCHEMBL7934462 0.74 KMT2A (0.45) MEN1KMT2AATMTP53MAPT
SCHEMBL8192915 0.74 AKR1B1 (0.48) MEN1KMT2AATMAKR1B1TP53

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-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
WO-2008036755-A1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 WO disclosed
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 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-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES AVPR2, AVPR1B, AVPR1A MEN1 3251/4885KMT2A 4641/4885ATM 3094/4885

“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.