SCHEMBL2956097

SCHEMBL2956097

CC1(N2CCN(S(=O)(=O)c3ccc(F)c4ccccc34)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
TSHR P16473 4/20 0.68
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
CCR1 P32246 1/20 0.46
NPC1 O15118 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41

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
SCHEMBL2962437 0.82 KMT2A (0.64) ALDH1A1TSHRPOLBSMN1; SMN2CCR1
SCHEMBL14919615 0.81 ALDH1A1 (1.00) ALDH1A1TSHRPOLBSMN1; SMN2KMT2A
SCHEMBL2956787 0.77 CCR1 (0.65) TSHRPOLBCCR1KMT2AHTT
SCHEMBL2962523 0.76 POLB (0.47) ALDH1A1TSHRPOLBSMN1; SMN2CCR1
SCHEMBL2949885 0.76 CCR1 (0.42) ALDH1A1TSHRPOLBSMN1; SMN2CCR1
SCHEMBL2959280 0.76 HTR6 (0.47) ALDH1A1TSHRPOLBSMN1; SMN2CCR1
SCHEMBL2953590 0.75 EPHX2 (0.47) ALDH1A1TSHRCCR1NPC1KMT2A
SCHEMBL2956944 0.75 KMT2A (0.75) ALDH1A1TSHRCCR1KMT2AMEN1
SCHEMBL4276701 0.74 CNR1 (0.62) ALDH1A1TSHRGAANPSR1ATM
SCHEMBL25532 0.72 POLB (0.58) ALDH1A1TSHRPOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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 (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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 ALDH1A1 82/4885TSHR 3888/4885POLB 503/4885

“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.