SCHEMBL2958883

SCHEMBL2958883

O=S(=O)(N1CCN(c2ccccc2)CC1)N1CCNc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5759490 0.75 CYP3A4 (0.64) ALDH1A1LMNAMAPTPKMPOLB
SCHEMBL973736 0.75 ALDH1A1 (0.48) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL20541090 0.74 AVPR1A (0.39) ALDH1A1MAPTGAAPOLBHSD17B10
SCHEMBL2959773 0.73 KMT2A (0.51) TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL27811171 0.73 AVPR1A (0.41) ALDH1A1HPGDMAPTGAAPOLB
SCHEMBL2960498 0.72 MAPT (0.52) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL2956651 0.72 PKM (0.55) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL30910137 0.69 PIM1 (0.48) MAPTGAAHTR3EHTR3BADRB1
SCHEMBL30910136 0.69 PIM1 (0.48) MAPTGAAHTR3EHTR3BADRB1
SCHEMBL2330241 0.69 PIM1 (0.48) MAPTGAAHTR3EHTR3BADRB1

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-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
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 82/4885HPGD 36/4885TSHR 3888/4885

“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.