SCHEMBL321973

SCHEMBL321973

O=S(=O)(F)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 1/20 0.40
MCL1 Q07820 1/20 0.40
MET P08581 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 2/20 0.38
CNR1 P21554 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
GAA P10253 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4618467 0.84 SLC40A1 (0.43) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL181454 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL29209864 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL440935 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL1036705 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL5020875 0.74 AKR1B1 (0.44) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL11155608 0.74 CA1 (0.41) ALDH1A1KMT2AMEN1TDP1TSHR
SCHEMBL2251809 0.74 CXCR2 (0.46) ALDH1A1KMT2AMEN1TDP1AKR1B1
SCHEMBL11159231 0.73 TSHR (0.52) KMT2AAKR1B1METLMNATSHR
SCHEMBL4318859 0.72 MCL1 (0.40) ALDH1A1KMT2AMEN1TDP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369145-A Preparation of fluorobenzenesulfonyl fluorides by exchange fluorination RHONE-POULENC INDUSTRIES (FR) 1983-01-18 US claimed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
EP-2590955-B9 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-02-22 EP disclosed
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 US disclosed
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
US-4369145-A Preparation of fluorobenzenesulfonyl fluorides by exchange fluorination RHONE-POULENC INDUSTRIES (FR) 1983-01-18 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 (7 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885KMT2A 2510/4885MEN1 1540/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3430/4885KMT2A 2574/4885MEN1 303/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 1995/4885KMT2A 2511/4885MEN1 1454/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885KMT2A 2510/4885MEN1 1540/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 1995/4885KMT2A 2511/4885MEN1 1454/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 ALDH1A1 3430/4885KMT2A 2574/4885MEN1 303/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885KMT2A 2510/4885MEN1 1540/4885

“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.