SCHEMBL2953584

SCHEMBL2953584

Cc1cccc(Cl)c1S(=O)(=O)N1CCN(C2(C)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.67
CNR1 P21554 1/20 0.45
CCR5 P51681 2/20 0.44
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL2956799 0.80 CCR1 (0.52) CCR1LMNAMAPT
SCHEMBL14473583 0.78 ALDH1A1 (0.52) CCR1CNR1POLBLMNA
SCHEMBL2956787 0.78 CCR1 (0.65) CCR1POLBLMNA
SCHEMBL2957547 0.77 HTT (0.56) PKMTDP1POLBLMNAMAPT
SCHEMBL4169860 0.71 TSHR (0.70) PKMPOLBLMNAMAPT
SCHEMBL27652273 0.70 CCR1 (0.50) CCR1CNR1TDP1ATMLMNA
SCHEMBL2964791 0.70 PKM (0.42) CCR1CCR5PKMPKLR
SCHEMBL5242582 0.69 AKR1C3 (0.58) CCR1POLBMAPT
SCHEMBL2962437 0.69 KMT2A (0.64) CCR1CNR1POLBATMLMNA
SCHEMBL2963400 0.68 ABL1 (0.52) CCR1PKMPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
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 CCR1 4518/4885CNR1 4280/4885CCR5 3648/4885

“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.