SCHEMBL3068176

SCHEMBL3068176

CCC(CC)(N(c1c(C(=O)N2CCCC2)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3060213 0.86 ITGA4 (0.32) KDM4EMAPTLMNAHTT
SCHEMBL2098099 0.85 ITGA4 (0.33) KDM4EMAPTSMN1; SMN2LMNATP53
SCHEMBL2098758 0.84 C5AR1 (0.35) ALDH1A1MAPTCNR1LMNAHTT
SCHEMBL2098604 0.83 ACP3 (0.33) ALDH1A1GAAMAPTHSD17B10LMNA
SCHEMBL2099735 0.82 POLB (0.41) HPGDALDH1A1KDM4EMAPTTP53
SCHEMBL2098705 0.82 CYP1A2 (0.33) ALDH1A1KDM4ETDP1MAPTUSP2
SCHEMBL2055502 0.81 HPGD (0.41) HPGDALDH1A1GAAKDM4EGLA
SCHEMBL2098828 0.81 ACP3 (0.32)
SCHEMBL2098368 0.79 PDE4D (0.36) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL2055395 0.79 HPGD (0.42) HPGDALDH1A1GAAKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 HPGD 3202/4885ALDH1A1 468/4885GAA 804/4885

“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.